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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin receptor' and Ligand = 'BDBM50190309'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50190309
PNG
(Ac-RYYRIK-K-(NH2)-YRFB | CHEMBL412939)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C77H117N23O15/c1-4-45(2)64(100-71(112)59(21-14-39-91-77(85)86)95-72(113)61(43-49-24-30-52(103)31-25-49)99-73(114)62(44-50-26-32-53(104)33-27-50)98-68(109)56(92-46(3)101)19-12-37-89-75(81)82)74(115)96-57(18-8-10-35-78)69(110)93-55(65(80)106)17-9-11-36-87-63(105)34-40-88-67(108)60(42-47-15-6-5-7-16-47)97-70(111)58(20-13-38-90-76(83)84)94-66(107)54(79)41-48-22-28-51(102)29-23-48/h5-7,15-16,22-33,45,54-62,64,102-104H,4,8-14,17-21,34-44,78-79H2,1-3H3,(H2,80,106)(H,87,105)(H,88,108)(H,92,101)(H,93,110)(H,94,107)(H,95,113)(H,96,115)(H,97,111)(H,98,109)(H,99,114)(H,100,112)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t45-,54-,55-,56-,57-,58+,59-,60-,61-,62-,64-/m0/s1
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Similars

Article
PubMed
n/an/a 0.789n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4839-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.060
BindingDB Entry DOI: 10.7270/Q2319WQG
More data for this
Ligand-Target Pair